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MFCD00213517 molecular structure
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1,7,7-trimethylbicyclo[2.2.1]heptane

ChemBase ID: 91858
Molecular Formular: C10H18
Molecular Mass: 138.24992
Monoisotopic Mass: 138.14085058
SMILES and InChIs

SMILES:
CC12CCC(C1(C)C)CC2
Canonical SMILES:
CC1(C)C2CCC1(C)CC2
InChI:
InChI=1S/C10H18/c1-9(2)8-4-6-10(9,3)7-5-8/h8H,4-7H2,1-3H3
InChIKey:
BEWYHVAWEKZDPP-UHFFFAOYSA-N

Cite this record

CBID:91858 http://www.chembase.cn/molecule-91858.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,7,7-trimethylbicyclo[2.2.1]heptane
IUPAC Traditional name
camphane
Synonyms
Camphane 97%
Bornane
MDL Number
MFCD00213517
PubChem SID
162078556
PubChem CID
92108
Wikipedia Title
Bornane

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price
Apollo Scientific
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.220269  LogD (pH = 7.4) 3.220269 
Log P 3.220269  Molar Refractivity 43.7988 cm3
Polarizability 17.72628 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Irritant expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

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PATENTS

PATENTS

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